Ab initio investigation of magnetic interactions in the frustrated triangular magnet NiGa2S4
Abstract
Triangular-layered NiGa2S4 , contrary to intuitive expectation, does not form a noncollinear antiferromagnetic structure, as do isoelectronic NaCrO2 and LiCrO2 . Instead, the local magnetic moments remain disordered down to the lowest measured temperature. To get more insight into this phenomenon, we have performed first principles calculations of the first, second, and third neighbors exchange interactions, and found that the second neighbor exchange is negligible, while the first and the third neighbor exchanges are comparable and antiferromagnetic. Both are rapidly suppressed by the on-site Hubbard repulsion.
- Publication:
-
Physical Review B
- Pub Date:
- October 2007
- DOI:
- 10.1103/PhysRevB.76.140406
- arXiv:
- arXiv:0708.1241
- Bibcode:
- 2007PhRvB..76n0406M
- Keywords:
-
- 75.10.Jm;
- 75.30.Et;
- 71.70.Gm;
- Quantized spin models;
- Exchange and superexchange interactions;
- Exchange interactions;
- Condensed Matter - Strongly Correlated Electrons;
- Condensed Matter - Materials Science
- E-Print:
- 4 pages, 4 figures